Geometry & MOs

Info

ID:	62638
PubChem CID:	26732588
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	449.062592
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	6.96
IP(EA), eV:	-9.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)/C#N

DOS

IR

Vibrations